1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

C27H31N5O2 — CID 135371938

IUPAC1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCN(CCCN1CCCCC1)c1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C27H31N5O2/c1-30(11-6-14-32-12-4-3-5-13-32)25-17-23(29-22-9-10-28-18-21(22)25)19-7-8-24-20(15-19)16-26(27(33)34)31(24)2/h7-10,15-18H,3-6,11-14H2,1-2H3,(H,33,34)
InChIKeyVTQFBQSUKOCRTH-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.80
Rot. Bonds7

About 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 135371938) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
PubChem CID135371938
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCN(CCCN1CCCCC1)c1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12
InChIInChI=1S/C27H31N5O2/c1-30(11-6-14-32-12-4-3-5-13-32)25-17-23(29-22-9-10-28-18-21(22)25)19-7-8-24-20(15-19)16-26(27(33)34)31(24)2/h7-10,15-18H,3-6,11-14H2,1-2H3,(H,33,34)
InChIKeyVTQFBQSUKOCRTH-UHFFFAOYSA-N
XLogP4.80
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 135371938) is 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is CN(CCCN1CCCCC1)c1cc(-c2ccc3c(c2)cc(C(=O)O)n3C)nc2ccncc12.
What is the InChIKey of 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The InChIKey is VTQFBQSUKOCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-30(11-6-14-32-12-4-3-5-13-32)25-17-23(29-22-9-10-28-18-21(22)25)19-7-8-24-20(15-19)16-26(27(33)34)31(24)2/h7-10,15-18H,3-6,11-14H2,1-2H3,(H,33,34).
What are the key properties of 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 457.58 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 135371938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).